1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one

C10H16F3N3O — CID 80582357

IUPAC1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
SMILESCCCn1ccn(CCNCC(F)(F)F)c1=O
InChIInChI=1S/C10H16F3N3O/c1-2-4-15-6-7-16(9(15)17)5-3-14-8-10(11,12)13/h6-7,14H,2-5,8H2,1H3
InChIKeyOBOWGUNCYDHTNC-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.21
Rot. Bonds6

About 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one

1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one (PubChem CID 80582357) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
PubChem CID80582357
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
SMILESCCCn1ccn(CCNCC(F)(F)F)c1=O
InChIInChI=1S/C10H16F3N3O/c1-2-4-15-6-7-16(9(15)17)5-3-14-8-10(11,12)13/h6-7,14H,2-5,8H2,1H3
InChIKeyOBOWGUNCYDHTNC-UHFFFAOYSA-N
XLogP1.21
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The IUPAC name of 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one (CID 80582357) is 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one.
What is the SMILES notation for 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The canonical SMILES for 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one is CCCn1ccn(CCNCC(F)(F)F)c1=O.
What is the InChIKey of 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
The InChIKey is OBOWGUNCYDHTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-2-4-15-6-7-16(9(15)17)5-3-14-8-10(11,12)13/h6-7,14H,2-5,8H2,1H3.
What are the key properties of 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one?
1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one has a molecular weight of 251.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one is sourced from PubChem (CID 80582357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).